Geometry & MOs

Info

ID:

166409

PubChem CID:

74685624

Reduced:

NOC13H20 (1)

Stoich.:

ABC13D20 (1)

Weight, g/mol:

222.149404

ΔHf, kcal/mol:

-7.11

Dipole, Da:

2.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753538

Charge, e:

 1

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)piperidin-1-ium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2CCCC[NH2+]2

DOS

IR

Vibrations